Electronic Structure Calculations at Extreme Conditions
ORAL · Y01 · ID: 1459181
Presentations
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Use of Chebyshev Clustering for Systematic Determination of Semi-empirical Quantum Models
ORAL
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Presenters
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Nir Goldman
Lawrence Livermore Natl Lab
Authors
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Nir Goldman
Lawrence Livermore Natl Lab
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RICCARDO DETTORI
Lawrence Livermore National Laboratory
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Laurence E Fried
Lawrence Livermore Natl Lab, Lawrence Livermore National Laboratory
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Breaking-up CO<sub>2</sub> by Redox Reaction with Rhenium at High Pressure*
ORAL
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Presenters
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Dylan E Durkee
Laboratory for Laser Energetics, University of Rochester
Authors
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Dylan E Durkee
Laboratory for Laser Energetics, University of Rochester
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Suxing Hu
Laboratory for Laser Energetics, University of Rochester, LLE
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Shear modulus and elastic constants in lead from first principles
ORAL
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Publication: [1] STEINBERG, D., COCHRAN S.G. and GUINAN M. W. A constitutive model for metals applicable at high-strain rate, J. Appl. Phys. 51, 1498 (1980)<br>[2] BURAKOVSKY L. et al Generalization of the unified analytic melt-shear model to multi-phase materials : Mo as an example, Crystals 9,86 (2019)<br>[3] NADAL, M. H. and LE POAC, P. Continous model for the shear modulus as a function of pressure and temperature up to the melting point : Analysis and ultrasonic validation, J. Appl. Phys. 93, 2472 (2003)<br>[4] HU, J. et al Sound velocity measurements of tantalum under shock compression in the 10-110 GPa Range, J. Appl. Phys. 111, 033511 (2012)<br>[5] PARTOM, Y. Change of shear modulus and yield stress with pressure and temperature, AIP Conference Proceedings 1793, 110018 (2017)<br>[6] ROBERT, G., LEGRAND, P. and BERNARD, S. Multiphase equation of state and elastic moduli of solid beryllium from first principles, Phys. Rev. B 82, 104118 (2010)
Presenters
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Camille Jacquelin
CEA, DAM, DIF, F-91297 Arpajon, France
Authors
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Camille Jacquelin
CEA, DAM, DIF, F-91297 Arpajon, France
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Vanessa Riffet
CEA, DAM, DIF, F-91297 Arpajon, France
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Cyril Bolis
CEA, DAM, DIF, F-91297 Arpajon, France
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vincent dubois
CEA, DAM, DIF, F-91297 Arpajon, France
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Philippe Legrand
CEA, DAM, DIF, F-91297 Arpajon, France, CEA-DAM-DIF, F-91297 Arpajon, France
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augustin Blanchet
CEA de Bruyeres-le-Chatel
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Laurianne Pillon
CEA de Bruyeres-le-Chatel
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Application of the Z method to transition metals
ORAL
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Presenters
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Shailesh Mehta
Atomic Weapons Establishment
Authors
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Shailesh Mehta
Atomic Weapons Establishment
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